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Chemical ID: 7370335

Chemical ID:

7370335

Name [?]:

4-butyl-N-(2-morpholinophenyl)-cyclohexane-1-carboxamide

SMILES [?]:

CCCCC1CCC(CC1)C(=O)Nc2ccccc2N3CCOCC3

InChi [?]:

InChI=1/C21H32N2O2/c1-2-3-6-17-9-11-18(12-10-17)21(24)22-19-7-4-5-8-20(19)23-13-15-25-16-14-23/h4-5,7-8,17-18H,2-3,6,9-16H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,3,16,17,4,15,18,6,10,7,9,21,25,22,24,5,8,14,19,11,13,20,12,23/E:(9,10)(11,12)(13,14)(15,16)/rA:25nCCCCCCCCCCCONCCCCCCNCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₂N₂O₂
All Atoms:	57
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2304
Area:	579.888
Solvation:	-3.26675
Coulombic:	-37.54

Bond Count [?]

All:	27
Single:	23
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	344.491
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.21
LogP (Chemaxon):	4.69

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value